SCHEMBL27327549

SCHEMBL27327549

C1=C(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)NC(c2ccccc2)NC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HDAC4 P56524 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15582938 0.88 KDM4E (0.41) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL17691079 0.85 HDAC4 (0.45) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL22842171 0.85 HDAC4 (0.45) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL15137520 0.85 HDAC4 (0.45) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL18934031 0.85 HDAC4 (0.38) KDM4EATML3MBTL1HDAC4
SCHEMBL25930262 0.83 KDM4E (0.40) KDM4EATML3MBTL1HDAC4SIGMAR1
SCHEMBL18561426 0.83 HDAC4 (0.35) KDM4EATML3MBTL1HDAC4
SCHEMBL17905892 0.83 HDAC4 (0.33) KDM4EATML3MBTL1HDAC4
SCHEMBL17905850 0.82 DHODH (0.32) KDM4EATML3MBTL1HDAC4
SCHEMBL17905901 0.81 HDAC4 (0.31) HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024144180-A1 COMPOSITION FOR OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE 삼성에스디아이 주식회사 2024-07-04 — — WO disclosed
WO-2024128698-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2024-06-20 — — WO disclosed
WO-2024080856-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE 삼성에스디아이 주식회사 2024-04-18 — — WO disclosed
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